Jakob Nielsen wrote: > Dear Pymol users, > I would like to modify a protein pdb file with a "crankshaft" flip, > which is the anti-correlated double change: psi(i-1) += delta and phi(i) > -= delta. Such a change should leave the protein coordinates unchanged > effecting only atoms in residues i-1 and i. However implementation in > pymol (see below) changes the coordinates of _all_ residues from i-1 to > the C-terminal.
I think this is expected because in general psi(i-1) and phi(i) will be rotating about different axes. You might try flipping the residue itself about an axis passing through its N and O atoms, followed by some regularization to fix the geometry. Ed ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
